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Benzamide, 3-methyl-N-benzyl-N-hexyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Benzamide, 3-methyl-N-benzyl-N-hexyl-
SpectraBase Compound ID KYeUUytoMS9
InChI InChI=1S/C21H27NO/c1-3-4-5-9-15-22(17-19-12-7-6-8-13-19)21(23)20-14-10-11-18(2)16-20/h6-8,10-14,16H,3-5,9,15,17H2,1-2H3
InChIKey ZWJCELMSUKNHJV-UHFFFAOYSA-N
Mol Weight 309.45 g/mol
Molecular Formula C21H27NO
Exact Mass 309.209264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H70Y4JJUjQ6
Name Benzamide, 3-methyl-N-benzyl-N-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.209264492 u
Formula C21H27NO
InChI InChI=1S/C21H27NO/c1-3-4-5-9-15-22(17-19-12-7-6-8-13-19)21(23)20-14-10-11-18(2)16-20/h6-8,10-14,16H,3-5,9,15,17H2,1-2H3
InChIKey ZWJCELMSUKNHJV-UHFFFAOYSA-N
Molecular Weight 309.453 g/mol
SMILES C(N(CCCCCC)CC1=CC=CC=C1)(=O)C=1C=C(C=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960553